CID 8893253

N-benzyl-5-(chloromethyl)-1,3,4-thiadiazole-2-carboxamide

Structural Information

Molecular Formula
C11H10ClN3OS
SMILES
C1=CC=C(C=C1)CNC(=O)C2=NN=C(S2)CCl
InChI
InChI=1S/C11H10ClN3OS/c12-6-9-14-15-11(17-9)10(16)13-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,16)
InChIKey
MMJOGMFEHYNOHX-UHFFFAOYSA-N
Compound name
N-benzyl-5-(chloromethyl)-1,3,4-thiadiazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.02332 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.030596 156.2
[M+Na]+ 290.012538 165.4
[M-H]- 266.016044 160.8
[M+NH4]+ 285.057143 173.0
[M+K]+ 305.986478 160.0
[M+H-H2O]+ 250.020580 148.7
[M+HCOO]- 312.021521 170.5
[M+CH3COO]- 326.037171 168.2
[M+Na-2H]- 287.997986 158.3
[M]+ 267.02277142 160.0
[M]- 267.02386858 160.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.